0 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,0,0,0,0,0|1,0,3]=4 14 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,0,0,0,0|0,0,0]=0 18 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,0,0,0,0,0|0,1,1]=2 23 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,0,0,0,0,0|1,0,2]=3 24 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,0,0,0,0,0|0,0,2]=2 26 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,0,0,0,0,0|0,0,2]=2 27 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,0,0,0,0,0|1,0,3]=4 34 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,0,0,0,0,0|1,1,2]=4 35 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,0,0,0,0,0|1,0,3]=4 36 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,0,0,0,0,0|1,0,2]=3 38 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,0,0,0,0,0|1,0,2]=3 41 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,0,0,0,0,0|1,0,2]=3 42 B5R0.5 CC(O)C(C)S CNP0002511.0 [0,0,0,0,0,0|0,1,3]=4 43 B5R0.5 CC(S)C(C)S CNP0003531.0 [0,0,0,0,0,0|0,2,2]=4 44 B5R0.5 CN(C)C(=N)N CNP0155822.0 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,0,0,0,0,0|3,1,0]=4 46 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,0,0|1,0,2]=3 48 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [0,0,0,0,0,0|0,0,4]=4 49 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,0,0|1,0,2]=3 51 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [0,0,0,0,0,0|0,0,4]=4 52 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [0,0,0,0,0,0|0,0,4]=4 53 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,0,0,0,0,0|1,1,1]=3 54 B5R0.5 ClC(=C(Cl)Cl)Cl CNP0108674.0 [0,0,0,0,0,0|4,0,0]=4 55 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,0,0,0,0,0|2,0,0]=2 57 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.5 NC(=O)C(I)I CNP0182681.0 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.5 O=C(O)C(I)I CNP0320084.0 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,0,0,0,0,0|2,0,2]=4 68 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.5 O=S(O)S(=O)O CNP0446885.0 [0,0,0,0,0,0|4,0,0]=4 73 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,0,0,0,0,0|2,0,0]=2 74 B4R0.1 C#CC(=C)C CNP0599820.0 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.1 C#CC(=O)N CNP0485881.0 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.1 C#CC(=O)O CNP0579203.0 [1,0,0,0,0,0|1,0,2]=4 77 B4R0.1 C=C(C)C#N CNP0560504.0 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,0,0,0,0|1,0,0]=2 79 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,0,0,0,0|0,0,2]=3 82 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.1 C=CC(=N)N CNP0498731.0 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|0,0,1]=2 85 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,0,0,0,0|1,0,1]=3 87 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,0,0,0,0|1,0,1]=3 88 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,0,0,0,0|1,0,1]=3 89 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|0,0,3]=4 91 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|0,0,3]=4 92 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|0,0,0]=1 95 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|1,0,1]=3 97 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|0,0,2]=3 99 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|0,1,1]=3 100 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|1,0,1]=3 108 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|1,0,0]=2 109 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|1,1,1]=4 110 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|0,0,1]=2 112 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|1,0,1]=3 115 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|1,0,1]=3 117 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|1,0,1]=3 118 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|1,0,1]=3 119 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|1,0,2]=4 121 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|0,0,3]=4 122 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|0,1,2]=4 123 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|0,0,3]=4 124 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|2,1,0]=4 126 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.1 CN(N)C=O CNP0593819.0 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|1,1,1]=4 129 B4R0.1 CN=C(N)N CNP0588415.0 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.1 CNC(=N)N CNP0590894.0 [1,0,0,0,0,0|3,0,0]=4 131 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|1,0,0]=2 132 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.1 CNC(=S)N CNP0572685.0 [1,0,0,0,0,0|2,1,0]=4 135 B4R0.1 CNC(=S)S CNP0524147.0 [1,0,0,0,0,0|2,1,0]=4 136 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|1,0,0]=2 138 B4R0.1 COC(=O)N CNP0575874.0 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.1 CSC(=N)N CNP0572889.0 [1,0,0,0,0,0|3,0,0]=4 140 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|1,0,0]=2 141 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|1,1,1]=4 143 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|0,0,2]=3 146 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|0,0,2]=3 147 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.1 ClC=C(Cl)Cl CNP0539983.0 [1,0,0,0,0,0|3,0,0]=4 149 B4R0.1 N=CC(=O)O CNP0521453.0 [1,0,0,0,0,0|2,0,0]=3 150 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|1,0,2]=4 153 B4R0.1 NC(=O)NO CNP0593192.0 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.1 O=C(Cl)SCl CNP0604698.0 [1,0,0,0,0,0|3,0,0]=4 160 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|1,0,2]=4 164 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|1,1,1]=4 165 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,0,0,0,0|1,0,0]=2 166 B4R0.1 O=CC(Br)Br CNP0551465.0 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.1 O=N[N+](=O)[O-] CNP0609066.0 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,1,0,0,0,0|1,0,0]=2 170 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,1,0,0,0,0|1,0,1]=3 174 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,1,0,0,0,0|1,0,1]=3 176 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,1,0,0,0,0|1,0,2]=4 177 B6R0.3 CC(=C(O)C#N)C CNP0141576.0 [0,1,0,0,0,0|1,0,2]=4 178 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,1,0,0,0,0|1,0,1]=3 179 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,1,0,0,0,0|1,0,1]=3 180 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,1,0,0,0,0|0,0,1]=2 181 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,1,0,0,0,0|1,0,1]=3 182 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,1,0,0,0,0|1,0,1]=3 183 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,1,0,0,0,0|1,0,2]=4 184 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|0,0,2]=3 185 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,0,0,0,0|1,0,0]=2 186 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,1,0,0,0,0|2,0,0]=3 187 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,0,0,0,0|0,0,0]=1 191 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,1,0,0,0,0|0,1,1]=3 194 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,1,0,0,0,0|2,0,0]=3 195 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,1,0,0,0,0|1,0,1]=3 196 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|0,0,2]=3 197 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|0,0,2]=3 198 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|0,1,1]=3 199 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|0,0,2]=3 205 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,1,0,0,0,0|1,0,2]=4 206 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|1,0,1]=3 207 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,1,0,0,0,0|1,0,2]=4 212 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.3 CN(N=O)C(=N)N CNP0292736.0 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.3 CN(N=O)C(=O)N CNP0122422.0 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,1,0,0,0,0|1,0,0]=2 216 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,1,0,0,0,0|2,0,0]=3 217 B6R0.3 CNC(=S)N(C)C CNP0368290.0 [0,1,0,0,0,0|2,1,0]=4 218 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,0,0,0,0|0,0,0]=1 221 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,1,0,0,0,0|1,0,0]=2 222 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,1,0,0,0,0|1,0,0]=2 223 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,1,0,0,0,0|1,0,1]=3 225 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,1,0,0,0,0|1,0,1]=3 226 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,1,0,0,0,0|0,0,2]=3 227 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,1,0,0,0,0|1,0,2]=4 228 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,1,0,0,0,0|1,0,1]=3 229 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,1,0,0,0,0|0,0,2]=3 230 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,1,0,0,0,0|1,1,1]=4 231 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,0,0,0,0|0,0,2]=3 232 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,0,0,0,0|0,1,1]=3 233 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|1,0,2]=4 236 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|1,0,2]=4 238 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,1,0,0,0,0|1,0,2]=4 239 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,1,0,0,0,0|1,0,2]=4 241 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,1,0,0,0,0|1,0,2]=4 243 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,1,0,0,0,0|2,0,1]=4 245 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,0,0,0,0|2,0,1]=4 246 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,1,0,0,0,0|2,0,1]=4 250 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,1,0,0,0,0|2,0,1]=4 251 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,1,0,0,0,0|2,0,1]=4 253 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.3 O=C(CBr)C(Br)Br CNP0156364.0 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.3 O=C(CBr)C(Cl)Cl CNP0175070.0 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.3 O=C(CBr)[C@@H](Cl)Br CNP0199732.1 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.3 O=C(CCl)C(Br)Br CNP0124606.0 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.3 O=C(CCl)C(Cl)Cl CNP0243162.0 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.3 O=C(CCl)[C@H](Cl)Br CNP0320239.1 [0,1,0,0,0,0|2,0,1]=4 260 B6R0.3 O=C(CI)C(Br)Br CNP0231151.0 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,1,0,0,0,0|1,0,2]=4 265 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,0,0,0,0|1,0,0]=2 266 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,0,0,0,0|1,0,0]=2 267 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,1,0,0,0,0|1,0,2]=4 268 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,0,0,0,0|1,0,2]=4 269 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,1,0,0,0,0|1,0,2]=4 270 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,1,0,0,0,0|1,0,2]=4 271 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,0,0,0,0|1,0,2]=4 272 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,1,0,0,0,0|1,0,0]=2 273 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,1,0,0,0,0|1,0,1]=3 274 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.7 CC(=O)C(Br)(Br)Br CNP0017934.0 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,1,0,0,0,0|1,0,1]=3 278 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,1,0,0,0,0|0,0,2]=3 279 B6R0.7 CC(=O)C(Cl)(Br)Br CNP0075118.0 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,1,0,0,0,0|2,0,1]=4 281 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,1,0,0,0,0|1,0,2]=4 284 B6R0.7 CN(C)P(=O)(C)C CNP0415109.0 [0,1,0,0,0,0|3,0,0]=4 285 B6R0.7 CN(C)S(=O)(=O)C CNP0085777.0 [0,1,0,0,0,0|3,0,0]=4 286 B6R0.7 O=C(O)P(=O)(O)O CNP0366447.0 [0,1,0,0,0,0|3,0,0]=4 287 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|1,0,1]=3 288 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,0,0,0,1|1,0,0]=2 289 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,0,0,0,0,1|2,0,1]=4 290 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,0,0,0,0,1|1,0,2]=4 291 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,0,0,0,0,1|2,0,0]=3 292 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,0,0,0,0,1|2,0,0]=3 293 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,0,0,0,1|2,0,0]=3 294 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,0,0,0,0,1|1,0,1]=3 295 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,0,0,0,1|2,0,1]=4 296 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,0,0,0,1|1,0,0]=2 297 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,0,0,0,1|1,0,0]=2 298 B6R0.2 CC(=N)C[N+](=O)[O-] CNP0571090.0 [0,0,0,0,0,1|3,0,0]=4 299 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,0,0,0,1|1,0,0]=2 300 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,0,0,0,1|0,0,1]=2 301 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,0,1|0,0,0]=1 302 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,0,0,0,0,1|1,0,0]=2 303 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,0,0,0,0,1|1,0,0]=2 304 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,0,0,0,1|1,0,1]=3 305 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,0,1|0,0,2]=3 306 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,0,1|0,0,2]=3 307 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,0,0,0,0,1|2,0,0]=3 308 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,0,0,0,1|0,0,0]=1 309 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,0,0,0,0,1|1,0,0]=2 310 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,0,0,0,0,1|1,1,0]=3 311 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,0,0,0,1|0,0,0]=1 312 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,0,0,0,1|1,0,1]=3 313 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,0,0,0,1|0,0,0]=1 314 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,0,0,0,0,1|0,2,0]=3 315 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,0,0,0,1|1,1,1]=4 316 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,0,0,0,1|2,0,1]=4 317 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,0,0,0,0,1|2,0,1]=4 318 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,0,0,0,1|1,0,2]=4 319 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,0,0,0,1|3,0,0]=4 320 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,0,0,0,1|3,0,0]=4 321 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,0,0,0,1|3,0,0]=4 322 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,0,0,0,1|2,0,1]=4 323 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,0,1|1,0,2]=4 324 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,0,0,0,1|2,0,1]=4 325 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,0,1|1,0,2]=4 326 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,0,0,0,1|2,0,1]=4 327 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,0,0,0,1|2,0,1]=4 328 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,0,0,0,1|3,0,0]=4 329 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,0,0,0,1|3,0,0]=4 330 B6R0.2 NC(=O)C=C(Cl)Cl CNP0268623.0 [0,0,0,0,0,1|3,0,0]=4 331 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,0,0,0,0,1|2,0,0]=3 332 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,0,0,0,0,1|2,0,0]=3 333 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,0,0,0,0,1|2,0,0]=3 334 B6R0.2 O=C(Cl)C=C(Br)Br CNP0351146.0 [0,0,0,0,0,1|3,0,0]=4 335 B6R0.2 O=C(Cl)C=C(Cl)Cl CNP0284346.0 [0,0,0,0,0,1|3,0,0]=4 336 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,0,0,0,0,1|2,0,0]=3 337 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,0,0,0,0,1|3,0,0]=4 338 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,0,0,0,0,1|3,0,0]=4 339 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,0,0,0,0,1|3,0,0]=4 340 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,0,0,0,0,1|2,0,0]=3 341 B3R0.1 C#CC=O CNP0511000.0 [2,0,0,0,0,0|0,0,2]=4 342 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|0,0,2]=4 343 B3R0.1 C=CC=C CNP0574781.0 [2,0,0,0,0,0|0,0,2]=4 344 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,1]=3 345 B3R0.1 C=CC=S CNP0501678.0 [2,0,0,0,0,0|0,1,1]=4 346 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,2]=4 347 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|1,0,1]=4 348 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|0,0,2]=4 349 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,0]=3 350 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,0]=2 351 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,1,0]=3 352 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 353 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [2,0,0,0,0,0|2,0,0]=4 354 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,1]=3 355 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,1]=4 356 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,2]=4 357 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,1]=4 358 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,1]=4 359 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,1]=4 360 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,1]=4 361 B3R0.1 CN=C=O CNP0542197.0 [2,0,0,0,0,0|1,0,1]=4 362 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|1,0,0]=3 363 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 364 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|1,0,0]=3 365 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|2,0,0]=4 366 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|2,0,0]=4 367 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|2,0,0]=4 368 B3R0.1 ClC=CCl CNP0610334.0 [2,0,0,0,0,0|2,0,0]=4 369 B3R0.1 NC=CS CNP0577276.0 [2,0,0,0,0,0|1,1,0]=4 370 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|1,0,1]=4 371 B3R0.1 NNC=O CNP0501881.0 [2,0,0,0,0,0|2,0,0]=4 372 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|0,0,0]=2 373 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|1,0,1]=4 374 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|0,0,2]=4 375 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|0,1,1]=4 376 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|0,0,2]=4 377 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|1,0,0]=3 378 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|0,0,1]=3 379 B3R0.2 C=C(Cl)Cl CNP0573882.0 [2,0,0,0,0,0|2,0,0]=4 380 B3R0.2 CC(=N)S CNP0537692.0 [2,0,0,0,0,0|1,1,0]=4 381 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,0,0]=2 382 B3R0.2 CC(=O)Cl CNP0537278.0 [2,0,0,0,0,0|1,0,0]=3 383 B3R0.2 CC(=O)N CNP0570171.0 [2,0,0,0,0,0|1,0,0]=3 384 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|0,0,1]=3 385 B3R0.2 CC(=O)[O-] CNP0505268.0 [2,0,0,0,0,0|0,0,1]=3 386 B3R0.2 CC(=S)N CNP0579768.0 [2,0,0,0,0,0|1,1,0]=4 387 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|1,0,1]=4 388 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,1]=4 389 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,1]=4 390 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|0,0,2]=4 391 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|0,1,1]=4 392 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|2,0,0]=4 393 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 394 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|1,0,1]=4 395 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|2,0,0]=4 396 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|2,0,0]=4 397 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|1,0,1]=4 398 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|2,0,0]=4 399 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,0,1]=4 400 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|2,0,0]=4 401 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 402 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 403 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|1,0,1]=4 404 B3R0.2 NC(=O)N CNP0520286.0 [2,0,0,0,0,0|2,0,0]=4 405 B3R0.2 NC(=O)O CNP0575336.0 [2,0,0,0,0,0|1,0,1]=4 406 B3R0.2 N[14C](=O)N CNP0600423.0 [2,0,0,0,0,0|2,0,0]=4 407 B3R0.2 O=C(O)O CNP0491655.0 [2,0,0,0,0,0|1,0,1]=4 408 B3R0.2 O=C(O)P CNP0562466.0 [2,0,0,0,0,0|1,0,1]=4 409 B3R0.2 O=S(=O)O CNP0578309.0 [2,0,0,0,0,0|2,0,0]=4 410 B3R0.2 O=[Mo](=O)S CNP0576700.0 [2,0,0,0,0,0|2,0,0]=4 411 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|1,0,1]=4 412 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,1,0,0,0,0|1,0,0]=3 413 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|1,0,1]=4 414 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|1,0,1]=4 415 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,1,0,0,0,0|0,0,1]=3 417 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,1,0,0,0,0|1,0,1]=4 418 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,1,0,0,0,0|1,0,1]=4 419 B5R0.1 C=COC(=O)C CNP0003526.0 [1,1,0,0,0,0|0,0,1]=3 420 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,1,0,0,0,0|1,0,0]=3 422 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|1,0,0]=3 423 B5R0.1 CC(=CCS)C CNP0262600.0 [1,1,0,0,0,0|1,0,0]=3 424 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,1,0,0,0,0|0,0,1]=3 425 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|0,0,1]=3 426 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|0,0,1]=3 427 B5R0.1 CC(=O)OCS CNP0547679.0 [1,1,0,0,0,0|1,0,0]=3 428 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.1 CC(C)OC=O CNP0079775.0 [1,1,0,0,0,0|1,0,1]=4 430 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,1,0,0,0,0|1,1,0]=4 431 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,1,0,0,0,0|0,0,0]=2 432 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,1,0,0,0,0|1,0,0]=3 434 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,1,0,0,0,0|1,0,0]=3 435 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,1,0,0,0,0|1,0,0]=3 436 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,1,0,0,0,0|1,1,0]=4 437 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|1,0,1]=4 438 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|0,0,2]=4 439 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|1,0,0]=3 440 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|0,0,1]=3 441 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|0,0,1]=3 442 B5R0.1 CCCC(=O)N CNP0115101.0 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.1 CCCC(=O)O CNP0259447.0 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|0,0,1]=3 446 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|0,0,1]=3 447 B5R0.1 CCOC(=O)N CNP0336700.0 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|0,0,1]=3 450 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|0,0,1]=3 451 B5R0.1 CN=CC(C)C CNP0149349.0 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.1 CNCC(=O)O CNP0307073.0 [1,1,0,0,0,0|1,0,1]=4 453 B5R0.1 CNCC(=O)O CNP0563704.0 [1,1,0,0,0,0|1,0,1]=4 454 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,1,0,0,0,0|1,0,1]=4 455 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|0,0,1]=3 456 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|1,0,1]=4 457 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|0,0,1]=3 458 B5R0.1 CSCC(=O)O CNP0447839.0 [1,1,0,0,0,0|1,0,1]=4 459 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|0,0,2]=4 460 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,1,0,0,0,0|1,0,1]=4 461 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,1,0,0,0,0|1,0,1]=4 462 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,1,0,0,0,0|1,0,1]=4 463 B5R0.1 NCCC(=O)O CNP0226336.0 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.1 NCNC(=O)N CNP0046326.0 [1,1,0,0,0,0|2,0,0]=4 465 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,1,0,0,0,0|1,0,1]=4 466 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,1,0,0,0,0|1,0,1]=4 468 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.1 O=C(O)CCS CNP0097385.0 [1,1,0,0,0,0|1,0,1]=4 471 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,1,0,0,0,0|1,0,0]=3 473 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,1,0,0,0,0|0,0,2]=4 474 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,1,0,0,0,0|1,0,0]=3 475 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,1,0,0,0,0|1,0,0]=3 476 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,1,0,0,0,0|0,0,1]=3 477 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,1,0,0,0,0|0,0,1]=3 478 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,1,0,0,0,0|0,0,0]=2 479 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|1,0,0]=3 480 B5R0.3 CC=C(C)CO CNP0120418.0 [1,1,0,0,0,0|0,0,1]=3 481 B5R0.3 CCC(=CS)C CNP0025997.0 [1,1,0,0,0,0|0,1,1]=4 482 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,1,0,0,0,0|0,0,0]=2 483 B5R0.3 CCC(=O)CC CNP0270305.0 [1,1,0,0,0,0|0,0,1]=3 484 B5R0.3 CCC(=O)CO CNP0165007.0 [1,1,0,0,0,0|0,0,1]=3 485 B5R0.3 CCC(=O)NN CNP0281170.0 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|0,0,1]=3 487 B5R0.3 CCC(=O)SC CNP0240172.0 [1,1,0,0,0,0|0,0,1]=3 488 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|0,0,2]=4 489 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|0,0,2]=4 490 B5R0.3 CN(C=O)CO CNP0412364.0 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.3 CNC(=N)NC CNP0404528.0 [1,1,0,0,0,0|2,0,0]=4 492 B5R0.3 CNC(=O)NC CNP0028412.0 [1,1,0,0,0,0|1,0,0]=3 493 B5R0.3 CNC(=O)OC CNP0483114.0 [1,1,0,0,0,0|1,0,0]=3 494 B5R0.3 COC(=O)CI CNP0017842.0 [1,1,0,0,0,0|1,0,0]=3 495 B5R0.3 COC(=O)NN CNP0033099.0 [1,1,0,0,0,0|2,0,0]=4 496 B5R0.3 NCC(=O)NO CNP0470573.0 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,1,0,0,0,0|1,0,1]=4 499 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,1,0,0,0,0|1,0,1]=4 500 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,1,0,0,0,0|1,0,1]=4 501 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,1,0,0,0,0|0,0,2]=4 503 B5R0.3 O=C(CO)CO CNP0303926.0 [1,1,0,0,0,0|0,0,2]=4 504 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,1,0,0,0,0|0,0,2]=4 505 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,1,0,0,0,0|0,0,2]=4 507 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,1,0,0,0,0|0,0,2]=4 508 B5R0.4 CC(C)(C)C=O CNP0320383.0 [1,1,0,0,0,0|1,0,1]=4 509 B5R0.4 CC(C)(O)C=O CNP0300882.0 [1,1,0,0,0,0|0,0,2]=4 510 B5R0.4 COS(=O)(=O)C CNP0336702.0 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [1,1,0,0,0,0|2,0,0]=4 512 B5R0.4 CSS(=O)(=O)C CNP0305173.0 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,1,0,0,0,1|1,0,1]=4 514 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,1,0,0,0,1|0,0,1]=3 515 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,1,0,0,0,1|1,0,1]=4 516 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,0,0,0,1|0,0,1]=3 517 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,1,0,0,0,1|2,0,0]=4 518 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,1,0,0,0,1|2,0,0]=4 519 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,0,0,0,1|1,0,0]=3 520 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,0,0,0,1|2,0,0]=4 521 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,0,0,0,1|1,0,0]=3 522 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,1|1,0,0]=3 523 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,1|1,0,1]=4 524 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,1,0,0,0,1|0,0,0]=2 525 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,1|1,0,1]=4 526 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,1|1,0,1]=4 527 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,1|1,0,1]=4 528 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,1|1,0,1]=4 529 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,1,0,0,0,1|0,0,0]=2 530 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,1,0,0,0,1|1,0,0]=3 531 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,0,0,0,1|0,0,1]=3 532 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,1,0,0,0,1|1,0,0]=3 533 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,0,0,0,1|0,0,0]=2 534 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,1,0,0,0,1|1,0,0]=3 535 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,0,0,0,1|1,0,1]=4 536 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,0,0,0,1|0,1,1]=4 537 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,1,0,0,0,1|2,0,0]=4 538 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,0,0,0,1|1,0,1]=4 539 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,0,0,0,1|0,0,2]=4 540 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,1,0,0,0,1|2,0,0]=4 541 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,1,0,0,0,1|2,0,0]=4 542 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,1,0,0,0,1|1,0,0]=3 543 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,0,0,0,1|1,0,1]=4 544 B7R0.2 O=C(C=C(Br)Br)CBr CNP0357798.0 [0,1,0,0,0,1|2,0,0]=4 545 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,1,0,0,0,1|1,0,0]=3 546 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,1,0,0,0,1|1,0,1]=4 547 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,1,0,0,0,1|0,0,2]=4 548 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,1,0,0,0,1|0,1,1]=4 549 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [0,1,0,0,0,1|2,0,0]=4 550 B7R0.9 CC(=O)OP(=O)(O)O CNP0284907.0 [0,1,0,0,0,1|2,0,0]=4 551 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,0,1|2,0,0]=4 552 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,0,1|2,0,0]=4 553 B7R0.16 CC(=O)C(=C(Br)Br)Br CNP0266625.0 [0,1,0,0,0,1|2,0,0]=4 554 B7R0.16 CC(=O)C(=C(Br)Br)Cl CNP0369755.0 [0,1,0,0,0,1|2,0,0]=4 555 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,1,0,0,0,1|1,0,0]=3 556 B7R0.16 CC(=O)C(=N)C(=O)[O] CNP0577857.0 [0,1,0,0,0,1|1,0,0]=3 557 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,0,1|1,0,1]=4 558 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,1,0,0,0,1|0,0,0]=2 559 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,0,1|1,0,0]=3 560 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,0,0,0,1|1,0,1]=4 561 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,1,0,0,0,1|0,0,0]=2 562 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,0,0,0,1|1,0,1]=4 563 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,0,0,0,1|1,0,1]=4 564 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,0,0,0,1|1,0,1]=4 565 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,0,1|1,0,0]=3 566 B7R0.16 CC(C(=O)N)C(=O)N CNP0110933.0 [0,1,0,0,0,1|2,0,0]=4 567 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,1,0,0,0,1|2,0,0]=4 568 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,1,0,0,0,1|2,0,0]=4 569 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,1,0,0,0,1|2,0,0]=4 570 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,1,0,0,0,1|2,0,0]=4 571 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,1,0,0,0,1|2,0,0]=4 572 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,2,0,0,0,0|1,0,0]=3 573 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,2,0,0,0,0|1,0,1]=4 576 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,2,0,0,0,0|0,0,2]=4 577 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,2,0,0,0,0|0,0,0]=2 580 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|0,0,0]=2 581 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,2,0,0,0,0|2,0,0]=4 583 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,2,0,0,0,0|0,0,0]=2 584 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,2,0,0,0,0|1,0,0]=3 585 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,2,0,0,0,0|1,0,1]=4 587 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,2,0,0,0,0|0,0,2]=4 588 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,2,0,0,0,0|0,0,2]=4 589 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,2,0,0,0,0|0,0,2]=4 591 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,2,0,0,0,0|0,0,0]=2 592 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,2,0,0,0,0|1,0,1]=4 593 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,2,0,0,0,0|0,1,1]=4 594 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,2,0,0,0,0|0,0,2]=4 595 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,2,0,0,0,0|0,0,2]=4 596 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,2,0,0,0,0|0,0,2]=4 597 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,2,0,0,0,0|1,0,0]=3 598 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,2,0,0,0,0|1,0,0]=3 599 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,2,0,0,0,0|2,0,0]=4 600 B7R0.10 CC(=NO)C(=NO)C CNP0126463.0 [0,2,0,0,0,0|0,0,2]=4 601 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,2,0,0,0,0|2,0,0]=4 602 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,2,0,0,0,0|1,0,0]=3 603 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,2,0,0,0,0|1,0,0]=3 604 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,2,0,0,0,0|0,0,0]=2 606 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|0,0,2]=4 609 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,2,0,0,0,0|1,0,1]=4 611 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,2,0,0,0,0|0,0,0]=2 612 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,2,0,0,0,0|1,0,1]=4 613 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,2,0,0,0,0|1,0,1]=4 614 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,2,0,0,0,0|1,0,1]=4 615 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,2,0,0,0,0|1,0,1]=4 616 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,2,0,0,0,0|1,0,1]=4 617 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,2,0,0,0,0|0,0,0]=2 618 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|0,0,2]=4 619 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|1,0,1]=4 620 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,2,0,0,0,0|1,0,1]=4 621 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|0,0,2]=4 622 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,2,0,0,0,0|0,0,1]=3 623 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|0,0,2]=4 625 B7R0.10 NOC(=O)C(=O)ON CNP0440207.0 [0,2,0,0,0,0|2,0,0]=4 626 B7R0.10 O=C(CBr)C(=CBr)Br CNP0108777.0 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.10 O=C(CBr)C(=CBr)Cl CNP0017695.0 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.10 O=C(CCl)C(=CBr)Br CNP0341376.0 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.10 O=C(CI)C(=CBr)Br CNP0111575.0 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,2,0,0,0,0|0,0,2]=4 631 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,2,0,0,0,0|0,0,2]=4 632 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [0,2,0,0,0,0|0,0,2]=4 633 B7R0.14 O=C(CCl)P(=O)(O)O CNP0343694.0 [0,2,0,0,0,0|2,0,0]=4 634 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,2,0,0,0,0|1,0,1]=4 635 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,2,0,0,0,0|1,0,1]=4 637 B7R0.15 O=C(O)C(=CCl)CCl CNP0275314.0 [0,2,0,0,0,0|2,0,0]=4 638 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|1,0,0]=3 639 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|1,0,0]=3 640 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,1,0,1|1,0,0]=3 641 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,1,0,1|0,0,1]=3 642 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,1,0,1|2,0,0]=4 643 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,1,0,1|1,1,0]=4 644 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,0,0,1,0,1|2,0,0]=4 645 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,1,0,1|2,0,0]=4 646 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,0,0,1,0,1|2,0,0]=4 647 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,1,0,1|1,0,0]=3 648 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,0,0,1,0,1|2,0,0]=4 649 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,0,0,1,0,1|2,0,0]=4 650 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,0,0,1,0,1|2,0,0]=4 651 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,0,0,1,0,1|2,0,0]=4 652 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,0,0,1,0,1|1,0,1]=4 653 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,0,0,1,0,1|1,0,1]=4 654 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,0,0,1,0,1|1,1,0]=4 655 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,0,0,1,0,1|1,1,0]=4 656 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,0,0,1,0,1|2,0,0]=4 657 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,0,0,1,0,1|1,0,1]=4 658 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,1|1,0,1]=4 659 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,1|1,0,1]=4 660 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,1|1,0,1]=4 661 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,1|1,0,1]=4 662 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,0,0,1,0,1|2,0,0]=4 663 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,0,0,1,0,1|1,0,1]=4 664 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,0,0,1,0,1|0,0,2]=4 665 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,0,0,1,0,1|0,0,2]=4 666 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,0,0,1,0,1|0,0,2]=4 667 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,1,0,1|0,0,1]=3 668 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,1,0,1|0,0,0]=2 669 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,1,0,1|0,0,0]=2 670 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,1,0,1|0,0,0]=2 671 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,1|0,0,2]=4 672 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,1|0,0,2]=4 673 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,0,0,1,0,1|1,0,0]=3 674 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,0,0,1,0,1|1,0,0]=3 675 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,0,0,1,0,1|1,1,0]=4 676 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,0,1,0,1|1,0,0]=3 677 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,0,1,0,1|1,0,0]=3 678 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,0,0,1,0,1|2,0,0]=4 679 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,1,0,0|1,0,0]=3 680 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,1,0,0|2,0,0]=4 681 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|0,1,1]=4 682 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,1,0,0|0,2,0]=4 683 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,1,0,1,0,0|1,0,1]=4 684 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,1,0,1,0,0|1,0,1]=4 685 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,1,0,1,0,0|1,1,0]=4 686 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,1,0,1,0,0|1,1,0]=4 687 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,1,0,0|1,0,0]=3 688 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,1,0,1,0,0|1,1,0]=4 690 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,1,0,0|1,0,0]=3 691 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|0,0,2]=4 692 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|0,1,1]=4 693 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|1,0,1]=4 695 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|1,0,1]=4 696 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|0,0,2]=4 697 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|1,0,1]=4 699 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|0,0,2]=4 700 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|1,0,1]=4 701 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|1,0,1]=4 702 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,1,0,0|1,0,1]=4 703 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,1,0,1,0,0|0,0,1]=3 704 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,1,0,0|0,0,1]=3 705 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,1,0,0|0,0,0]=2 706 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|0,1,1]=4 707 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|0,0,2]=4 708 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,1,0,0|0,0,2]=4 709 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,1,0,1,0,0|0,0,2]=4 710 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|0,0,2]=4 711 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|0,1,1]=4 712 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,1,0,1,0,0|1,0,1]=4 713 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,1,0,1,0,0|0,1,1]=4 714 B7R2.1 C1CC1=C2CC2 CNP0470938.0 [0,0,0,2,0,0|2,0,0]=4 715 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,0,0,0,0,2|1,0,0]=3 716 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,0,0,0,0,2|2,0,0]=4 717 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,0,2|2,0,0]=4 718 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,0,0,0,0,2|0,0,0]=2 719 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,0,0,0,0,2|1,0,0]=3 720 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,0,0,0,0,2|1,0,1]=4 721 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,0,2|0,0,0]=2 722 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,0,2|1,0,0]=3 723 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,0,0,0,2|1,0,0]=3 724 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,0,0,0,2|1,0,0]=3 725 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,0,0,0,2|1,0,1]=4 726 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,0,0,0,2|0,0,0]=2 727 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,0,0,0,0,2|1,0,1]=4 728 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,0,0,0,0,2|1,0,0]=3 729 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,0,0,0,0,2|1,0,1]=4 730 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [0,0,0,0,0,2|0,0,0]=2 731 B7R0.6 CC(=O)NNC(=O)N CNP0300547.0 [0,0,0,0,0,2|1,0,0]=3 732 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,0,0,0,0,2|0,0,0]=2 733 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,0,0,0,0,2|1,0,1]=4 734 B7R0.6 CC(=O)ONC(=N)N CNP0548365.0 [0,0,0,0,0,2|2,0,0]=4 735 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,0,0,0,0,2|0,0,0]=2 736 B7R0.6 NC(=O)C#CC(=O)N CNP0111468.0 [0,0,0,0,0,2|2,0,0]=4 737 B7R0.6 NC(=O)C=CC(=O)N CNP0214096.0 [0,0,0,0,0,2|2,0,0]=4 738 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,0,0,0,0,2|2,0,0]=4 739 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [0,0,0,0,0,2|2,0,0]=4 740 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,0,0,0,0,2|2,0,0]=4 741 B7R0.6 NC(=O)N=NC(=O)N CNP0081464.0 [0,0,0,0,0,2|2,0,0]=4 742 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,0,0,0,0,2|2,0,0]=4 743 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [0,0,0,0,0,2|2,0,0]=4 744 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [0,0,0,0,0,2|2,0,0]=4 745 B7R0.6 O=C(O)C#CC(=O)O CNP0197927.0 [0,0,0,0,0,2|2,0,0]=4 746 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [0,0,0,0,0,2|2,0,0]=4 747 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,0,0,0,0,2|2,0,0]=4 748 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,0,0,0,0,2|2,0,0]=4 749 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [0,0,0,0,0,2|2,0,0]=4 750 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0497869.0 [0,0,0,0,0,2|2,0,0]=4 751 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0507497.0 [0,0,0,0,0,2|2,0,0]=4 752 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0533924.0 [0,0,0,0,0,2|2,0,0]=4 753 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0554203.0 [0,0,0,0,0,2|2,0,0]=4 754 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0574790.0 [0,0,0,0,0,2|2,0,0]=4 755 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [0,0,0,0,0,2|2,0,0]=4